(2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate
TL;DR: (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate (CAS 571918-88-2) is a chemical compound with molecular formula C14H11ClFNO2S and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0001327, 2-Chloro-6-fluorobenzyl 2-(methylthio)nicotinate, (2-chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate, (2-chloro-6-fluorophenyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C14H11ClFNO2S |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 3.953 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0183 |
| Heavy Atoms | 20 |
| Complexity | 616.071 |
Chemical Identifiers
| CAS Number | 571918-88-2 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=C(C=CC=C2Cl)F |
Product Overview
(2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate (CAS 571918-88-2), with molecular formula C14H11ClFNO2S and molecular weight 311.02 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate
Property Insights of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 3.953 indicates that (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate is 571918-88-2.
What is the molecular formula of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate is C14H11ClFNO2S.
What is the molecular weight of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate is 311.02 g/mol.
Where can I buy (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-6-fluorophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.